1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine

C42H33N — CID 89063944

IUPAC1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1C)c1ccccc1-c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1C
InChIInChI=1S/C42H33N/c1-28-12-4-11-19-42(28)43-30(3)36-14-7-8-16-38(36)35-25-24-33(26-29(35)2)31-20-22-32(23-21-31)41-27-34-13-5-6-15-37(34)39-17-9-10-18-40(39)41/h4-27H,1-3H3/b43-30+
InChIKeyJDTIXAMPYQPMBG-BJSJXSMNSA-N
MW551.73 g/mol
LogP11.75
Rot. Bonds5

About 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine

1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine (PubChem CID 89063944) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine
PubChem CID89063944
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC Name1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1C)c1ccccc1-c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1C
InChIInChI=1S/C42H33N/c1-28-12-4-11-19-42(28)43-30(3)36-14-7-8-16-38(36)35-25-24-33(26-29(35)2)31-20-22-32(23-21-31)41-27-34-13-5-6-15-37(34)39-17-9-10-18-40(39)41/h4-27H,1-3H3/b43-30+
InChIKeyJDTIXAMPYQPMBG-BJSJXSMNSA-N
XLogP11.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(2-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123185164
9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
4-methyl-6-(4-phenanthren-9-ylphenyl)dibenzothiophene
CID 87688408
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
N-[2-anthracen-9-yl-2-(4-phenanthren-9-ylphenyl)ethyl]-1-(2-methylphenyl)-1-phenylmethanimine
CID 166661994
6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
CID 58569084
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine?
The IUPAC name of 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine (CID 89063944) is 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine.
What is the SMILES notation for 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine?
The canonical SMILES for 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine is C/C(=N\c1ccccc1C)c1ccccc1-c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1C.
What is the InChIKey of 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine?
The InChIKey is JDTIXAMPYQPMBG-BJSJXSMNSA-N. The full InChI is InChI=1S/C42H33N/c1-28-12-4-11-19-42(28)43-30(3)36-14-7-8-16-38(36)35-25-24-33(26-29(35)2)31-20-22-32(23-21-31)41-27-34-13-5-6-15-37(34)39-17-9-10-18-40(39)41/h4-27H,1-3H3/b43-30+.
What are the key properties of 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine?
1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine has a molecular weight of 551.73 g/mol, XLogP of 11.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-4-(4-phenanthren-9-ylphenyl)phenyl]phenyl]-N-(2-methylphenyl)ethanimine is sourced from PubChem (CID 89063944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).